Thermodynamic properties of halides, hydrides, and ... · ResearchInformationCenter...

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QC1M U5753 N0.1244 1987 VI 98 C.I NBS-P

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NBS Technical Note 1244

Thermodynamic Properties of HalideSy Hydrides, and

Deuterides of Cobalt, Iron, and Nickel

I. Literature Citations

Cynthia R. Jackson and Malcolm W, Chase

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no. 1^^NBS Technical Note 1244 - - n

Thermodynamic Properties of Halides, Hydrides, and

Deuterides of Cobalt, Iron, and Nickel

L Literature Citations

Cynthia R. Jackson and Malcolm W. Chase

Chemical Thermodynamics Data Centers

Chemical Thermodynamics Division

Center for Chemical Physics

National Measurement Laboratory

National Bureau of Standards

Gaithersburg, MD 20899

December 1987

o,

^&i:

*

U.S. Ifepartment of CommerceC. William Verity, Secretary

National Bureau of Standards

Ernest Ambler, Director

National Bureau of Standards U.S. Government Printing Office For sale by the Superintendent

Technical Note 1244 Washington: 1987 of Documents,

Natl. Bur. Stand. (U.S.), U.S. Government Printing Office,

Tech. Note 1244 Washington, DC 20402

50 pages (Dec. 1987)

CODEN: NBTNAE

THERMODYNAMIC PROPERTIES OF HALIDES , HYDRIDES, AND DEUTERIDES OF COBALT, IRON, AND NICKEL


Table of Contents

ABSTRACT ^^

INTRODUCTION ^

NOMENCLATURE 2

LITERATURE COVERAGE ^

DATA SUMMARIES 6

ACKNOWLEDGEMENT 8

COBALT BIBLIOGRAPHIES

COBALT BROMIDE (CoBr, CoBr+, CoBr') 9

COBALT CHLORIDE (CoCl, CoCl+, CoCl') 10

COBALT FLUORIDE (CoF, CoF+, CoF" ) 12

COBALT HYDRIDE (DEUTERIDE) (CoH, CoH+ , CoH" , CoD, CoD+ , CoD') 13

COBALT IODIDE (Col, CoI+, Col") 17

IRON BIBLIOGRAPHIES

IRON BROMIDE (FeBr, FeBr+, FeBr") 18

IRON CHLORIDE (FeCl, FeCl+, FeCl") 19

IRON FLUORIDE (FeF, FeF+, FeF") 22

IRON HYDRIDE (DEUTERIDE) (FeH, FeH+, FeH' , FeD, FeD+, FeD") 24

IRON IODIDE (Fel, Fel+, Fel") 30

NICKEL BIBLIOGRAPHIES

NICKEL BROMIDE (NiBr, NiBr"^, NiBr") 31

NICKEL CHLORIDE (NiCl, NiCl+, NiCl') 33

NICKEL FLUORIDE (NiF, NiF+, NiF") ... 36

NICKEL HYDRIDE (DEUTERIDE) (NiH, NiH+, NiH" , NiD, NiD+, NiD') 38

NICKEL IODIDE (Nil, Nil+, Nil") 44

111

ABSTRACT

A bibliographic collection is provided on data which are necessary for the

calculation of the thermochemical properties of the gaseous metal halides, hydrides

(deuterides) and their positive and negative ions (MX, MX"'' and MX'), where M = Co

,

Fe , and Ni and X = Br , CI, F, H(D) , and I. This is the first in a series of

articles that will document the information used in the critical evaluation of the

thermodynamic properties of these substances for the JANAF Thermochemical Tables.

The collection contains references which have been published through the end of

1986 with some 1987 references. Fifteen bibliographies are given, one for each

species. In all bibliographies, the references are listed chronologically;

alphabetically by first author within each year. The names of the species are

given according to the Chemical Abstracts system of nomenclature (as of the Tenth

Collective Index) when possible. The Chemical Abstracts Registry Numbers, if

assigned, are also given for each of the species. A brief summary of the type of

available information is given.

Keywords: bibliography, electron affinity, electronic energy levels, equilibriumdata, formation properties, ionization potential, molecular structure, reviewarticles, thermochemistry, thermodynamic properties, transition metal halides andhydrides, vibrational frequencies

IV

INTRODUCTION

This is the first in a series of articles that will document the information used

in the critical evaluation of the thermodynamic properties of chemical species for

the JANAF Thermochemical Tables. In this particular article, thermochemical tables

for the gaseous iron, cobalt and nickel halides, hydrides (deuterides) and their

positive and negative ions (MX, MX+ , MX") are being prepared. The iron species are

also being studied for use in the CODATA Task Group on Chemical Thermodynamics

Tables. The preparation of these thermochemical tables has been divided into a

series of sequential sections, each section containing documentation. This permits

the technical community not only to have access to all the available pertinent

references early in the investigation but also to view the progress in the critical

evaluation of the thermodynamic properties for the JANAF Thermochemical Tables. It

is hoped that this will stimulate interested scientists to comment on the

documentation so that we can make it as complete as possible. The goal is to

construct a complete bibliographic resource, upon which future studies can be

built, and to eliminate the need for another search of the past literature on these

species. In the future, one only should have to be concerned with current updates

to this survey. A possible limitation in this coverage is in the appearance of

pertinent data in journals not accessed by the abstracting services.

In general, the first two steps involve the construction of the bibliographies,

followed by a set of data summaries (i.e., summaries of the reported data in

tabular and graphical format). Subsequently, there will be published preliminarythermal functions, preliminary formation properties, and then the final

thermochemical tables. The latter normally would be a fine -adjustment of the

preliminary values. This fine -adjustment would result from the examination of data

consistency as viewed from a larger group of species, i.e. a mathematical solutionof a thermochemical network or consideration of trends in the periodic table. Froma network solution, there is obtained a statistical assessment of the overalluncertainties in the formation properties and a better understanding of the

interconsistency of all data used in the network. In the species studied here,however, the data are not strongly linked via chemical reactions to other species.Thus, a network solution may not be necessary. However, a comparison of theresults of this study with the results for other transition metal species would be

beneficial in confirming possible trends and identifying possible discrepancies.

NOMENCLATURE

The species of interest in this bibliographic collection are given below with their

names and registry numbers, as obtained from Chemical Abstracts On-Line (Registry

File) in October 1987. Only 31 of the potentially relevant 54 species have been

assigned registry numbers. The remaining 23 species, which are not listed in the

following table, are named in analogy with those given. Historically, these

speci(?s have often been called monohalides, monohydrides , and monodeuterides , but

these designations are not used. In addition, names such as "chloronickel ion"

have been used in the past but are no longer used by Chemical Abstracts. Although

our intent was to cover the positive and negative ions of the above mentioned

eighteen neutral species, not all of these species have been listed in the Chemical

Abstracts Registry Number system, and thus are not listed here. Interestingly,

there is no data reported in Chemical Abstracts for Nil(g), but there is

information for the positive ion. On the other hand, data are given in the

literature for Fel"*", but no access to this species is given in Chemical Abstracts

through the Formula Index.

formula

CoBr

name

Cobalt Bromide

registry number

22584-72-1

CoCl

CoCl-H

CoD-h

CoD

CoD

CoD

CoF

CoF+

CoH

CoH-l-

CoH-

Col

Cobalt Chloride

Chlorocobalt(l+)

Hydro -d-cobalt(l-i-)

Cobalt Hydride (CoD)

Cobalt Hydride (CoD)

Cobalt Deuteride

Cobalt Fluoride

Fluorocobalt(l-)-)

Cobalt Hydride

Hydrocobalt(l-l-)

Hydrocobaltate(l-

)

Cobalt Iodide

FeBr Iron BromideFeBr-t- Bromoiron(l-(-)

FeCl Iron Chloride

FeD Iron Deuteride

FeF Iron Fluoride

FeH Iron HydrideFeH-i- Hydroiron(l+)FeH- Hydroferrata (1-

)

Fel Iron Iodide

NiBr Nickel Bromide

NiCl Nickel ChlorideNiCl-f- Chloronickel(l-i-)

NiD Nickel DeuterideNiD-t- Hvdro-d- nickel CI

34240-80-7

52082-14-1

87136-05-8

76622- 37 -2-.^->v

40418- 24 -4>v-;r

37362- 92 -S-'^-'t

67321-83-9

21773-33-1

14994-20-8

12378-09-5

65899-90-7

101015-09-2

12514-32-8

90143-36-5

27846-09-9

40418-23-3

41428-55-1

15600-68-7

71899-96-2

64899-88-3

33019-21-5

71939-11-2

13931-83-4

52082-15-2

14989-21-0

75181-24-7

NiF Nickel Fluoride 13783-64-7

NiF-i- Fluoronickel(l-i-) 26024-87-3

NiH Nickel Hydride 14332-32-2

NiH-t- Hydronickel(l+) 75181-25-8

NiH- Hydronickelate(l-) 64899-92-9

Nil-t- Iodonickel(l-(-) 53290-74-7

** NOTE: There are three registry numbers assigned to CoD

.

LITERATURE COVERAGE

All references, which appear to have some data pertinent to the thermochemical

calculations, have been collected into fifteen bibliographies, one for each of the

halides and hydrides (deuterides) of cobalt, iron and nickel. The references for

the deuterides are contained in the hydride bibliographies. These references were

taken primarily from a search of Chemical Abstracts, from the First Collective

Index, which includes 1907-1916, to the 11th Collective Index, which includes

1982-1986. However, we have included some 1987 publications in the bibliographies.

In addition, scanning of the retrieved articles, manual scanning of selected

resources, using personal contacts, searching the Chemical Thermodynamics Data

Centers abstract files, and searching the Ion Kinetics and Energetics Data Center

data base have yielded additional publications. It is hoped that the collection is

complete through 1986 within the following constraints:

1. Articles referring to aqueous solutions involvingMX"*" and MX' usually are not included. We are interestedonly in the gaseous MX, MX"*" and MX' species.

2. Articles referring to estimated thermochemical values for

MX(cr) are not included.

3. Articles published in astrophysical journals often are

not included since they usually are not presenting newspectral information. More often, existing spectral dataare given.

4. Analytical chemistry articles which deal with the

interferences of MX(g) electronic bands with other bands

typically are not included. These articles normally do

not give definitive values for the electronic bands nor

do they present data relevant to this particular

thermodynamic study.

5. Articles using existing thermochemical values for the

hydrides (deuterides) and halides in calculations are not

included, unless the article includes a discussion of

problems in the calculated results.

6. At this time, only those critical reviews which deal

exclusively with halides and hydrides (deuterides) are

included. The more general critical reviews (i.e. JANAF

Thermochemical Tables) will be included in the next

publication of this series.

The inclusion of an article in this collection does not necessarily imply that it

will be of high importance in the final selection of data. Since there is not an

overabundance of data, we have been unselective in our choice of entries in these

bibliographies, and have extracted some articles which are tangential to our work

with the hope that some useful information may be hidden in them. The initial

examination of the literature suggests that sufficient reliable information is not

available to generate sound thermochemical tables for some halides and hydrides(deuterides). Many will be estimated tables.

In generating these bibliographic files, the intent is to add informationprogressively as the evaluation procedure progresses. Thus, starting with this

article, the prime effort is to list authors and the journal citation. As the

literature searching proceeds and as articles are obtained, additional informationwill be added (e.g., article title, Chemical Abstracts reference). Thus, somecitations may be incomplete at this time. Eventually, the majority of the

bibliographic citations will (should) contain:

authors

title of article

journal citationabstract citation (Chemical Abstracts, Physics Abstracts, etc.)

short annotation as to information in the article

At this time for these metal halides and hydrides (deuterides) , we have collectedthe majority of the available data, with no statement as to its reliability orusefulness

.

DATA SUMMARIES

The next publication in this series will contain sets of tabular information which

will summarize the relevant data, as presented in the original publication. These

summaries will help direct attention to the data actually available for use in

generating thermochemical tables. In the case of these halides and hydrides(deuterides) , data summaries will be presented for the following information:

dissociation energy

electronic energy levels and configurationsvibration-rotation constants

ionization potential

electron affinity

The same information will be summarized for the positive and negative ions. In allcases, experimental and theoretical data are included.

The following table summarizes briefly the nature and quantity of data availablefor the halides and hydrides (deuterides)

.

SUBJECT COVERAGE IN REFERENCES ON COBALT, IRON, AND NICKEL SPECIES

total references

electronic energy information

electronic energy levels

vibrational analysis

rotational analysis

dissociation energy


electron affinity

CoBr CoCl CoD CoF CoH Col

6

4

13 29

11

9

12

2

FeBr FeCl FeD FeF FeH Fel

total references

electronic energy information



rotational analysis

dissociation energy


electron affinity

total references

electronic energy informationelectronic energy levels


rotational analysis

dissociation energy


electron affinity

21 17 44

4 11 3 3 15 -

4 8 1 - 7 -

- 1 1 1 - -

- 6 1 5 20 1

_ . 1 . 3 3

NiBr NiCl NiD NiF NiH Nil

15 27 10 15 48

10 14 3 7 19

9 14 2 3 14- 1 2 2 3

1 7 1 3 17

- 1 1 - 3

1 1 1 .

Since any one article may contain information pertaining to more than one category

listed on the previous page, the sum within any column will not necessarily equal

the total. In addition, some articles do not report any data, but instead discuss

the interpretation of previously reported data.

ACKNOWLEDGEMENT

This activity is partially supported by the U. S. Air Force Office of Scientific

Research (AFOSR- ISSA-86-0063) and by the Office of Standard Reference Data of the

National Bureau of Standards. The work was undertaken not only as a contribution

to the JANAF Thermochemical Tables but also as a contribution to the CODATA Task

Group on Chemical Thermodynamic Tables. The more recent Russian references for the

iron compounds were obtained from the reaction catalog provided by the Institute

for High Temperatures (Moscow, USSR) to NBS for the CODATA Task Group. The help of

the personnel of the Chemical Thermodynamics Data Centers is greatly appreciated.

Special thanks go to Ms. Rhoda Levin of the Ion Kinetics and Energetics Data

Center for assistance in the preparation of this article, both in terms of

cross-checking the references for inclusion in the bibliographies, improving the

clarity of the work, and proof-reading the text. Thanks are also extended to Dr.

Vivian B. Parker and Dr. David Garvin for their comments on this article.

JANAF THE^OCHEMICAL TABLES - COBALT BIBLIOGRAPHIES

COBALT BROMIDE (CoBr, CoBr+, CoBr")

37MES

39MES

52KRI

62RAO/RAO

68RAO/RAO

72RAO/RED

Mesnage, P., "Molecular emission spectra of some metallic salts",

Compt. Rend., 204, 1929-1931 (1937), CA31 : 6108(8) , emission

spectra, electronic energy levels

Mesnage, P., "Researches on high-frequency discharges and their

application to molecular spectroscopy", Ann. Phys . , (11), 12 .

5-87 (1939), CA33 : 8112(4) , vibrational analysis, emission spectra,


Krishnamurty, V.G, , "Structure of the band spectra of the halides

of Co and Ni", Dissertation, Univ. Andhra, Doctoral Thesis (1952),

emission spectra, electronic energy levels

Rao, S.V.K., Rao, P.T. , "The spectrum of CoBr in the visible(4300-4700 A.)", Indian J . Phys., 36, 609-612 (1962), CA59:3442b,

emission spectra, electronic energy levels, vibrational analysis

Rao, N. V. K. , Rao, P. T. , "New band systems of CoBr in the

photographic infrared", Curr. Sci., 37(21), 608-609 (1968),CA70(12) : 52722b, emission spectra, vibrational analysis, electronicenergy levels

Rao, N. V. K. , Reddy, Y. P., Rao, P. T. , "Emission spectrum of CoBrin the visible region", Indian J. Pure Appl. Phys., 10(5),389-391 (1972), CA77(22) : 145832x, emission spectrum, vibrationalanalysis, electronic energy levels

86KHA/GER Kharitonov, Yu. Ya. , Gerzha, T. V., Averbukh, B. S., Kuznetsov,L.

, "Thermodynamic properties of gaseous di-and monohalides ofiron, cobalt and nickel", Zh. Neorg. Khim. , 31(7), 1679-1682(1986), CAl05(14):121784d, Eng. transl., Russ. J. Inorg. Chem.

,

31(7), 961-963 (1986), thermodynamic properties

S.

JANAF THERMOCHEMICAL TABLES - COBALT BIBLIOGRAPHIES

COBALT CHLORIDE (CoCl, C0CI+, CoCl")

12POL Pollok, J.H., "Vacuuiri tube spectra of some metals and metallic

chlorides. II. Lead, iron, manganese, nickel, cobalt, chromium,

barium, calcium, strontium, magnesium, potassium, sodium and

lithium", J. Chem. Soc. , 102(Pt.2), 710-711 (1912), CA7:1132(8),

spectra, electronic energy levels, see also Sci. Proc. Roy Dubl.

Soc, 13, 253-268 (1912)

35MES

37MOR




More, K.R., "Band spectra of NiCl and CoCl", Phys . Rev., 51, 1019

(1937), CA32 : 5294(4) , emiss^'on spectra, electronic energy levels

38MIE Miescher, E. , "Molecular spectra of halogens of the ion group,

particularly FeCl", Helv. Phys. Acta, 11, 463-468 (1938),

emission spectra

38MOR More, K.R. , "Spectra of the monochlorides of nickel, cobalt and

iron", Phys. Rev., 54, 122-125 (1938), CA32:7342(9) , vibrational

analysis, emission spectra, electronic energy levels

39MES Mesnage, P., "Researches on high-frequency discharges and their

application to molecular spectroscopy", Ann. Phys., (11), 12.

5-87 (1939), CA33 : 8112(4) , emission spectra, vibrational analysis,


51KRI Krishnamurty, V.G., "^ii'^s electronic transition in

cobalt chloride", Curr. Sci. (India), 20, 323 (1951), CA46 :4908a,

emission spectra, vibrational analysis, electronic energy levels,

see also CA47 :1487c

52KRI Krishnamurty, V.G. , "^II-^S electronic transition in

cobalt chloride", Indian J . Phys., 26, 177-185 (1952),

CA47 :1487c, emission spectra, vibrational analysis, electronicenergy levels, see also CA46 :4908a

61RA0/RA0 Rao, S.V.K., Rao, P.T., "The spectrum of CoCl in the photographicinfrared and in the visible", Indian J. Phys., 35, 556-561

(1961), CA57 :283c, emission spectra, vibrational analysis,electronic energy levels

10


COBALT CHLORIDE (CoCl, 0001+, CoCl")

71KUL/DAD Kulkarni, M. P., Dadape , V. V., "Sublimation pressure of cobalt

dichloride and the study of the reaction cobalt(c) + cobalt

dichloride (g)=cobalt monochloride (g) at high temperatures", High

Temp. Sci., 3(4), 277-282 (1971), CA75(18): 113319c , enthalpy of

formation

72B0R/BUL Borisov, Yu.A. , Bulgakov, N.N., "Semiempirical method for

calculating bond energies" , Zh . Strukt. Khim., 13(1). 103-110

(1972), CA76(20) :117733b, Eng. transl., J. Struct. Chem., 13,

89-95 (1972) , dissociation energy

83GRE/MCD Green, D.W., McDermott, D.P., Bergman, A., "Infrared spectra of the

matrix- isolated chlorides of iron, cobalt, and nickel", J. Mol.

Spectrosc, 98(1), 111-124 (1983), CA98 (20) : 169624r , matrixisolation study, vibrational analysis

84RED/NAR Reddy, C. V., Narayana, A. L., Rao, P. T., "The emission spectrumof cobalt chloride (CoCl) in the visible region", Optica PuraAplicada, 17(3), 289-296 (1984), CA102 (22) : 194359s , emissionspectra, vibrational analysis, electronic energy levels

84RED/NAR2 Reddy, C. V., Narayana, A. L. , Rao, P. T., "Spectrum of cobaltmonochloride (CoCl) in the visible region AA 5350-5900 P"

,

Indian J. Pure Appl. Phys.

, 22(9), 550-552 (1984),CA101(24) : 218921b, emission spectra, vibrational analysis,electronic energy levels

11


COBALT FLUORIDE (CoF, CoF+, CoF")

66KAN/BES Kana'an, A.S., Besenbruch, G., Margrave, J.L., "Knudsen and

Langmuir measurements of the sublimation pressure of C0F2", J.

Inorg. Nucl. Chem., 28, 1035-1037 (1966), CA64:18442h,

dissociation energy

68SAA/MCD Saalfeld, F. E., McDowell, M. V., Hagen, A. P., MacDiarmid, A. G.,

"Mass spectrum of trifluorosilyltetracarbonylcobalt" , Inorg. Chem.,

7(8), 1665-1667 (1968), CA69 (16) : 62803x , appearance potential

70SAA Saalfeld, F.E., "Energetics of electron impact reactions". Rep. NRL

(Nav. Res. Lab.) Progr., Feb. 1-7 (1970), CA72 (24) : 126367e

,

formation

78DEV/VAN DeVore , T. C, Van Zee, R. J., Weltner, W., Jr., "An investigationof the first row transition - metal fluoride molecules using ESR

spectroscopy", Proc .- Electrochem. Soc

., Proc . Symp . High Temp.

Met. Halide Chem., 1977, 78-1 . 187-198 (1978), CA89 ( 14) : 120290d,

no data

12


COBALT HYDRIDE (CoH, CoH+ , CoH')

31J0H/J0H Johnson, L.W. , Johnson, R.C., "Band spectrum of YtO-ScO and LaO

systems", Proc . Roy. Soc. London, 133, 207 (1931), CA25:5843,

emission spectra

36HEI Heimer, A., "Band spectra of' NiH and CoH", Naturwissenschaften,

24, 413 (1936), CA31:33(9), emission spectra

37HEI Heimer, A., "The band spectrum of cobalt hydride", Z. Physik,

104 . 448-457 (1937), CA31 : 3383(8) , emission spectra

37HEI2 Heimer, A., Thesis, Stockholm (1937), spectra

46GUG Guggenheimer, K.M. , "New regularities in vibrational spectra",

Proc. Phys. Soc. (London), 58, 456-468 (1946), CA40 : 6991(5)

,

emission spectra

59VAR/MIT Varshni, Y.P., Mitra, S.S., Shukla, R.C., "Spectroscopic constants

of molecules. VII. Relation between force constant and equilibrium

internuclear distance for hydride diatoms", Indian J. Phys., 33 .

473-482 (1959), CA54: 10496a, bond length

63KLY/NEU Klynning, L. , Neuhaus , H., "The band spectrum of CoD" , Z.

Naturforsch. , 18^, 1142 (1963), CA60:4970e, emission spectra

65CAR/CAR Carbo , R. , de Carbo , C.A., Molina, J., "Calculation of the energy

of the ground state of diatomic molecules by an L.C . A.O. -S . C. F.

method", Afinidad, 22(240), 403-405 (1965), CA64:18677e,


66P0L Politzer, P. , "Bond lengths and atomic orbital radii in the

diatomic hydrides", J. Phys. Chem. , 70(12), 4041-4044 (1966),

CA66(6):22408d, bond length

73KLY/KR0 Klynning, L. , Kronekvist, M. , "New subsystem in the band spectrum

of cobalt monodeuteride", Phys. Scr., 7(1-2), 72-74 (1973),

CA78(24) : 153428f , rotational analysis, electronic energy levels

73SMI Smith, R. E. , "Diatomic hydride and deuteride spectra of the second

row transition metals", Proc. Roy. Soc. London, Ser. A,

332(1588), 113-127 (1973), CA78(12) : 77638g, spectra

76JEN/J0N Jensen, D.E., Jones, G.A., "Aspects of the flame chemistry of

cobalt", J. Chem. Soc, Faraday Trans . 1, 72(11), 2618-2630

(1976), CA86(12):79337x, enthalpy of formation

13


COBALT HYDRIDE (CoH, CoH+ , CoH")

77MID

77MIN/FOR

Middleton, R. , "A survey of negative ions from a cesium sputter

source", Nucl. Instrum. Methods, 144(3), 373-399 (1977),

CA87(24) :19O803f , formation

Mingos, D. M. P., Forsyth, M. I., "Molecular-orbital calculations

on transition-metal cluster compounds containing six metal atoms",

J. Chem. Soc, Dalton Trans . , (6), 610-616 (1977), CA87(4) : 29280y

,

structure

80KHA/KRA Kharitonov, Yu. Ya. , Kravtsova, G. V., "Empirical dependences

between force constants and bond length for iron, cobalt, and

nickel hydrides", Zh. Neorg. Khim. , 25(11), 3053-3058 (1980),

CA94(12) :92726h, Eng. transl., Russ. J. Inorg. Chem., 25,

1676-1679 (1980), force constant, bond length

81ARM/BEA Armentrout , P. B., Beauchamp , J. L., "Ion beam studies of the

reactions of atomic cobalt ions with alkanes: determination of

metal -hydrogen and metal -carbon bond energies and an examination of

the mechanism by which transition metals cleave carbon- carbon

bonds", J. Am. Chem. Soc, 103(4), 784-791 (1981),

CA94(15) : 120457s , dissociation energy

81ARM/HAL Armentrout, P.B., Halle, L.F., Beauchamp, J.L., "Periodic trends in

transition metal -hydrogen, metal-carbon, and metal-oxygen bond

dissociation energies. Correlation with reactivity and electronic

structure", J. Am. Chem. Soc, 103(21), 6501-6502 (1981),

CA95(18) :156742r , dissociation energy, ionization potential

81DAS Das, G., "A pseudopotential study of the iron-series transition

metal hydrides", J. Chem. Phys.

, 74(10), 5766-5774 (1981).

CA95(2) : 13166v, dissociation energy

81KAN/M00 Kant, A., Moon, K.A. , "Mass spectrometric determination of the

dissociation energies of gaseous aluminum hydride, gallium hydride,

indium hydride, scandium hydride, and cobalt hydride and estimation

of the maximum dissociation energies of thallium hydride, chromiumhydride, manganese hydride, and iron hydride". High Temp. Sci.,

14(1), 23-31 (1981), CA95(12):103738n, dissociation energy

81KHA/KRA Kharitonov, Yu. Ya. , Kravtsova, G. V., "Thermodynamic functions of

diatomic hydrides of Group VIII metals", Zh. Neorg. Khim., 26(5)

.

1198-1201 (1981), CA95(4):31394x, Eng. transl., Russ. J. Inorg.

Chem., 26, 645-647 (1981), thermodynamic properties

14


COBALT HYDRIDE (CoH, CoH+, CoH")

81KLY/KR0 Klynning, L. , Kronekvist, M. , "Rotational analysis of the 4547 P

and 4548 P bands of cobalt hydride (CoH)", Phys . Scr.,

24(1, Pt.l), 21-22 (1981), CA95(14) : 123449x, rotational analysis

81NIC Nicholls, R. W. , "Franck- Condon factor formulas for astrophysical

and other molecules", Astrophys . J., Suppl. Ser., 47(3), 279-290

(1981), CA96(8) :60604s, Franck-Condon factors

83CAR/SAL Carlin, T.J., Sallans, L. , Casssady, C.J., Jacobson, D.B., Preiser,

B.S., "Gas-phase reactions of Group VIII metal hydride ions

(FeD"*", CoD"*", and NiD+) with hydrocarbons", J. Am. Chera.

Soc, 105(20), 6320-6321 (1983), CA99(17) : 140141r , ionization

potential

83RAJ/RAT Rajulu, A.V., Ratnam, S.R., Reddy, R.R., "Electronegativities in

the calculation of diatomic molecular parameters (hydrides of some

transition elements)", J. Quant. Spectrosc. Radiat. Transfer,

29(1), 85-88 (1983), CA98(8) : 62295g, electron affinities

84MAN/HAL Mandich, M. L. , Halle, L. F. , Beauchamp, J. L. , "Determination of

the metal -hydrogen and metal-methyl bond dissociation energies of

the second-row. Group 8 transition metal cations", J. Am. Chem.

Soc, 106(16), 4403-4411 (1984), CA101(9) : 72937n, dissociation

energies

84SAU/TAT Sauval, A. J., Tatum, J. B., "A set of partition functions and

equilibrium constants for 300 diatomic molecules of astrophysicalinterest", Astrophys. J., Suppl. Ser., 16(2), 193-209 (1984),

CA101(22) :200866c, thermodynamic properties

85BOR/TYU Borodyuk, N. R. , Tyulin, V. I., "Calculation of lower limit for the

equilibrium internuclear distances in excited electronic states of

diatomic molecules", Vestn. Mosk. Univ., Ser. 2: Khim. , 26(6),546-551 (1985), CA104(16) : 138351n, bond length

85SAL/LAN Sallans, L. , Lane, K.R. , Squires, R.R. , Freiser, B.S., "Generation

and reaction of atomic metal anions in the gas phase. Determinationof the heterolytic and homolytic bond energies for the vanadium,

chromium, iron, cobalt, and molybdenum hydrides VH, CrH, FeH, CoH,

and MoH", J. Am. Chem. Soc, 107(15), 4379-4385 (1985),

CA103(6) :42997f , dissociation energy

15


COBALT HYDRIDE (CoH, CoH+ , CoH")

86CHI/LAN Chiong, D.P., Langhoff, S.R., Bauschlicher , C.W., Jr., Walch, S.P.,

Partridge, H., "Theoretical dipole moments for the first-row

transition metal hydrides", J. Chem. Phys. , 85(5), 2850-2860

(1986), CA105(18) :163141x, dipole moment

86ELK/ARM Elkind, J. L. , Armentrout, P. B., "Transition-metal hydride bond

energies: first and second row", Inorg. Chem., 25(8), 1078-1080

(1986), CA104(20) :177178f , enthalpy of formation

86KOL/GAG Kolbanovskii , Yu. A., Gagarin, S. G., "Orbital resonance in gaseous

reactions between metal monohydride ions and methane", Izv, Akad.

Nauk SSSR, Ser. Khim. , (6), 1291-1294 (1986), CA105(14) :121181e,


86SCH/GOD Schilling, J. B. , Goddard, W.A. , III, Beauchamp , J. L.

,

"Theoretical studies of transition-metal hydrides. 1. Bond energies

for My*" with M = Ca, Sc , Ti, V, Cr, Mn, Fe , Co, Ni, Cu, and

Zn", J. Am. Chem. Soc, ^08(4), 582-584 (1986), CA104(12) : 95921d,

dissociation energies

87MIL/FEI Miller, A.E.S., Feigerle, C.S., Lineberger, W.C, "Laser

photoelectron spectroscopy of CrH" , CoH", and NiH':

periodic trends in the elec-tronic structure of the transition-metal

hydrides", J. Chem. Phys., 87(3), 1549-1556 (1987), electronaffinity, electronic energy levels, vibrational analysis

16

JANAF THERMOCHEMICAL TABLES - COBALT BIBi.IOGRAPHIES

COBALT IODIDE (Col, CoI+, Col")

74BAR/CER Bartovska, L. , Cerny, C, Bartovsky, T., "The study of systems

cobalt- iodine and nickel- iodine at higher temperatures", Coll.

Czech. Chem. Commun., 29., 917-923 (1974), dissociation energy

17

JANAF THERMOCHEMICAL TABLES - IRON BIBLIOGRAPHIES

IRON BROMIDE (FeBr, FeBr+, FeBr')

38MIE Miescher, E. , "Molecular spectra of halides of the iron group,

particularly FeCl", Helv. Phys . Acta, 11 , 463-468 (1938),

emission spectra, may not contain data

39MES Mesnage, P., "Researches on high frequency discharges and their

application to molecular spectroscopy", Ann. Phys., (11), 12.

5-87 (1939), CA33:8112(4) , vibrational analysis, emission spectra,


59RED Reddy, S.P., "New band systems of FeBr in the visible region", J,

Sci. Industr. Res. (India), 18B. 188-190 (1959), CA55:18292a,


70RAO/RAO Rao, N.V.K., Rao, P.T., "New band system of the iron bromide [FeBr]

molecule". J. Phys. B, 3(5), 725-728 (1970), CA73(10) : 50458h,


74BRI/CAL Brinton, R.K. , Callear, A.B. , "Chemical rearrangement in the

reaction of iron(l+) ion with hexafluorosulfate(l-) ion. New

spectra of iron halides", J. Chem. Soc, Faraday Trans. 2, 70(2),

203-214 (1974), CA81(2) : 6581j , emission spectra, electronic energy

levels

86KHA/GER Kharitonov, Yu.Ya. , Gerzha, T.V. , Averbukh, B.S., Kuznetsov, S.L.,

"Thermodynamic properties of gaseous di-and monohalides of iron,

cobalt and nickel", Zh. Neorg. Khim. , 31(7), 1679-1682 (1986),

CA105(14) :121784d, Eng. transl., Russ. J. Inorg. Chem., 31(7),961-963 (1986) , thermodynamic properties

18


IRON CHLORIDE (FeCl, FeCl+, FeCl")

35MES

37SCH/GER

38MIE

39MES




Schmid, R. , Gero, L. , "The limit curve of dissociation on the basis

of band spectroscopy", Z. Physik, 104, 724-734 (1937),

CA31:4898(8) , dissociation energy

Miescher, E. , "Molecular spectra of halog-^ns of the iron group,

particularly FeCl", Helv. Phys . Acta, 11, 463 468 (1938),


Mesnage, P., "Researches on high frequency discharges and their

application to molecular spectroscopy", Ann. Phys., (11), 12,

5-87 (1939), CA33:8112(4) , vibrational analysis, emission spectra,


43MUE Mueller, W. , "High multiplicity terms in molecular spectra", Helv.

Phys. Acta, 16, 3-32 (1943), CA38 : 5143(6) , emission spectra,

vibrational analysis, electronic energy levels

5 7ALL Allen, T.L. , "Bond energies of transition metal halides" , J. Chem.

Phys., 26(6), 1644-1647 (1957), CA51:17278f, dissociation energy

59SCH/ETZ Schaeffer, H. , Etzel, K. , "On the transport of the metals iron and

nickel with the reactions Me + HCl = MeCl2(g) + H2 and on

the stability of the gas forming subchlorides FeCl and NiCl", Z.

Anorg. Allg. Chem., 301, 137-153 (1959), CA54:2896, enthalpy of

formation

60RED/RA0 Reddy, S.P., Rao, P.T. , "The spectrum of iron monochloride in the

visible", J. Mol. Spectrosc. , 4, 16-22 (1960), CA55:13045e,


69KAN/MCC

69RAO

Kana'an, A.S., McCreary, J.R., Peterson, D.E., Thorn, R.J.,

"Enthalpy and entropy of sublimation of ferrous chloride;

thermochemical properties of gaseous FeCl2", High Temp. Sci.,

1(2), 222-231 (1969), CA71(22) : 105973p, dissociation energy

Rao, P.T. , "High multiplicity electronic transitions in molecularspectra", Bhagavantam Vol . Ed: Balakrishna, S., Bangalore Printingand Publ. Co., Ltd., Bangalore, India, 18-21 (1969),

CA73(10) : 50323k, electronic energy levels

19


IRON CHLORIDE (FeCl, FeCl+, FeCl')

69RAO/RAO Rao, D.V.K., Rao, P.T., "High multiplicity electronic transiti(Jns

in the spectrum of FeCl", Curr. Sci.. 38. 87 (1969), emission

spectra, vibrational analysis, electronic energy levels

70RAO/RAO Rao, N.V.K., Rao, D.V.K., Rao, P.T., "Spectrum of iron chloride

(FeCl) in the red", Curr. Sci., 39(17), 392-393 (1970),

CA73(22) :114686r, emission spectra

70RAO/RAO2 Rao, D.V.K., Rao, P.T., "Isotope shift studies and multiplet

analysis of system I of iron chloride", J. Phys . B, 1(6), 878-881

(1970), CA73(6) :30322f , electronic energy levels

71RA0/RA0 Rao, D.V.K., Rao, P.T., "Complex band spectrum of FeCl in the

ultraviolet region", Indian J. Pure Appl. Phys., 9, 102-105

(1971), CA75:55868t, emission spectra, vibrational analysis,


74BRI/CAL Brinton, R.K., Callear, A.B., "Chemical rearrangement in the

reaction^ of iron(l+) ion with hexafluorosulfate(l- ) ion. New

spectra of iron halides", J. Chem. Soc. , Faraday Trans 2, 70(2),

203-214 (1974), CA81(2) : 6581j , emission spectra, electronic energy

levels

76BOR

80DAI

80DEL/DUF

82DEL/SCH

Borisov, Yu.A. , "The virial-statistical method for calculating the

energies of atoms and molecules. II. Energies and atomization of

molecules", Zh. Strukt. Khim. , 17(6), 979-984 (1976),

CA86(18):128442p, Eng. transl., J. Struct. Chem., 12, 839-843

(1976), dissociation energy

Daidoji, H. , "Spectral interferences in atomic absorptionspectrometry. IX. Molecular absorption spectra of beryllium,

ceriuni, lanthanum, iron, and platinum salts". Bunko Kenkyu,

29(5), 326-331 (1980), CA94(14) :113721v, absorption spectra

Delaval, J.M., Dufour, C, Schamps , J., "Rotational analysis of

ultraviolet systems of iron monochloride radical", J. Phys. B,

13(24), 4757-4769 (1980), CA94(16) : 129654ra, emission spectra,

electronic energy levels, rotational analysis

Delaval, J.M., Schamps, J., "Interactions between the sextet states

of iron monochloride", J. Phys. B, 15(22), 4137-4149 (1982),CA98(14) : 115926x, electronic energy levels

20


IRON CHLORIDE (FeCl, FeCl+, FeCl")

84SAU/TAT Sauval, A.J., Tatum, J.B., "A set of partition functions and

equilibrium constants for 300 diatomic molecules of astrophysical

interest", Astrophys. J., Suppl. Ser. , 56(2), 193-209 (1984),

CA101(22) : 200866c, thermodynamic properties

86RYZ/KH0 Ryzhov, M.Yu. , Khodeev, Yu.S., "High temperature thermodynamic

study with the help of a quadrupole mass-spectrometer. Enthalpy of

formation of monofluorides , monochlorides , difluorides, and

dichlorides of iron and nickel in the gas phase", Eleventh

All -Union Conference on Calorimetry and Chemical Thermodynamics,Novosibirsk, Part 1, 132-133 (1986), dissociation energy

21


IRON FLUORIDE (FeF, FeF+, FeF")

34HOW/ROC Howell, H.G., Rochester, G.D., "New diatomic band spectra", Proc

.

Univ. Durham Phil. Soc, 9, 126-134 (1934), CA29 :4673(1) , spectra

70BAR/CAR Barrow, R.F., Carroll, P.K., (1970), unpublished, cited in

'Spectroscopic Data Relative to Diatomic Molecules', B. Rosen

(editor), Pergamon Press, 1970

70SEN/BAR Senior, M. , Barrow, R.F., (1970), unpublished, cited in

'Spectroscopic Data Relative to Diatomic Molecules', B. Rosen (editor

Pergamon Press, 1970

73RIC/BEA Rice, W.W. , Beattie, W.H. , "Metal atom oxidation lasers", Chem.

Phys. Lett., 19(1), 82-85 (1973), CA78(20) : 130369y , spectra

74BRI/CAL Brinton, R.K., Callear, A.B., "Chemical rearrangement in the

reaction of iron(l+) ion with hexafluorosulfate(l- ) ion. New

spectra of iron halides", J. Chem. Soc, Faraday Trans. 2, 70(2),

203-214 (1974), CA81(2) :6581j , emission spectra

75MAC Macheteau, Y. , "Growth of iron crystals by thermal decomposition of

gaseous iron fluorides", J. Cryst. Growth, 28(1), 93-102 (1975),

CA82(12) :78896j , formation

78DEV/VAN DeVore , T.C., Van Zee, R.J., Weltner, W. , Jr., "An investigation of

the first row transition - metal fluoride molecules using ESR

spectroscopy", Proc. - Electrochem. Soc, (Proc. Symp . High Temp.

Met. Halide Chem., 1977), 78-1 . 187-198 (1978), CA89(14) : 120290d,


78P0U/SCH Pouilly, B. , Schamps, J., Lumley, D.J.W., Barrow, R.F., "Electronic

states of the iron fluoride (FeF) molecule. I. Analysis of

rotational structure", J. Phys. B, 11(13), 2281-2287 (1978),

CA90(6) :46128j , emission spectra, electronic energy levels,

rotational analysis

78P0U/SCH2 Pouilly, B. , Schamps, J., Lumley, D.J.W., Barrow, R.F., "Electronicstates of the iron fluoride (FeF) molecule. II. Ab initio

calculations", J. Phys. B, 11(13), 2289-2299 (1978),

CA90(6) :46129k, electronic energy levels, emission spectra

22


IRON FLUORIDE (FeF, FeF+, FeF")

79THA/SAN

81S0R/SID

82PAT/KOR

84G0R/MIL

Thakur, L. , Sandwar, B.B., "Cohesive energies arfd the relative

stabilities of the first row transition metal fluorides", J. Indian

Chem. Soc, 56(7), 663-665 (1979), CA92(4) : 29465r , dissociation

energy

Sorokin, I.D., Sidorov, L.N., Nikitin, M.I., Skokan, E.V., "Mass

spectrometric determination of the enthalpies of dissociation of

gaseous complex fluorides into neutral charged particles. V. Heats

of formation of trifluoroferrate (FeF3') and

tetrafluoroferrate (FeF4-)", Int. J. Mass S^ectrom. Ion

Phys., 41, 45-54 (1981), enthalpy of formation

Patil, V.S., Korwar, V.M. , "Franck- Condon factors for iron fluoride

(FeF) (X^Ag/o-^Hy /2) and lutetium deuteride

(LuD) (X^Z-H^n) transitions". Acta Cienc. Indica,

[Sev.] Phys., 8(1-4), 7-8 (1982), CA98(18) : 151898y , spectra

Gorokhov, L.N. , Milushin, M.I., Ryzhov, M.Yu. , Smirnov, V.K.

,

Khodeev, Yu.S., Chekhovskoi, D.V. , "Problems in mass-spectrometric

studies of high- temperature equilibria and enthalpies of formation

of iron fluoride (FeF), lead fluoride (PbF2) , lead fluoride

(PbF), and uranium fluoride (UF5) molecules", Probl. Kalorim.

Khim. Termodin. , Dokl. Vses. Konf.

, 10th, Ed.: Emanuel, I.M., 2,

463-465 (1984), CA104(6) :40742r , enthalpy of formation

84SAU/TAT Sauval, A.J., Tatum, J.B., "A set of partition functions and


interest", Astrophys. J., Suppl. Ser., 56(2), 193-209 (1984),

CA101( 22) :200866c, thermodynamic properties

85G0R/RYZ Gorokhov, L.N. , Ryzhov, M.Yu., Khodeev, Yu.S., "Heats of formation

of gaseous iron and magnesium fluorides (FeF, FeF2 , MgF) " , Zh.

Fiz. Khim., 59(12), 2939-2943 (1985), CA104(8) :57202n, ' Eng.

transl., Russ. J. Phys. Chem., 59, 1761-1764 (1985), enthalpy of

formation

86RYZ/KHO Ryzhov, M.Yu., Khodeev, Yu.S., "High temperature thermodynamicstudy with the help of a quadrupole mass-spectrometer. Enthalpy of

formation of monofluorides , difluorides, and dichlorides of iron

and nickel in the gas phase". Eleventh All-Union Conference on

Calorimetry and Chemical Thermodynamics, Novosibirsk, Part 1,

132-133 (1986), dissociation energy

23

JANAF THERMOCHEMlCAL TABLES - IRON BIBLIOGRAPHIES

IRON HYDRIDE (FeH, FeH+. FeH")

26WEI Weichselfelder, T. , "Hydrides of the metals nickel, cobalt, iron

and chromium", Annalen der Chemie, Justus Liebigs, 447 . 64-77

(1926), CA20:1363, spectra, withThiede, B.;

29FRA/MAY Frankenburg, W. , Mayrhofer, K. , "Atomized iron", Z. Elektrochem.

,

35, 590-600 (1929), CA24:2026, spectra

36HEI Heimer, A., "The band spectrum of FeH", Naturwissenschaften, 24,

492 (1936), CA31:33(5), spectra

46RAY/SAH Ray, R.C, Sahai, R.B.N. , "Hydrides of iron", J. Indian Chem. Soc,

57-72 (1946), CA40:7034, spectra

65MUK/MUK Mukhtarov, I. A., Mukhtarov, R.I., "Centrifugal perturbation

constants of the 1,1,2-trifluoroethane molecules", Optika i

Spektroskopiya, 19(6), 979-980 (1965), CA64:18677e, Eng. transl.,

Opt. Spectrosc, 19, 546 (1965), enthalpy of formation

67MCD/BRO McDugle , W.G. , Jr., Brown, T.L. , "A new evaluation of Piatt's model

for diatomic hydrides", J. Am. Chem. Soc, 89(13), 3111-3114

(1967), CA67(10):47295y, bond length

72CAR/MCC Carroll, P.K. , McCormack, P., "Spectrum of iron hydride. Laboratory

and solar identification", Astrophys. J., 177(1), Pt. 2, L33-L36

(1972), CA77(26):171088d, visible spectra

72MAS Mastryukov, V.S., "Nucleus -nucleus distances in diatomic hydrides",

Zh. Strukt. Khim., 13(3), 379-383 (1972), CA77(18) :118372r. Eng.

transl., J. Struct. Chem., 13. 359-362 (1972), bond distance

72WAL/WAL Walker, J.H., Walker, T.E.H., Kelly, H.P., "Ground and low-lying

excited electronic states of iron monohydride" , J. Chem. Phys.,

57(5), 2094-2098 (1972), CA77(20) : 132603y , electronic energylevels

7 3SMI

74SC0

Smith, R.E., "Diatomic hydride and deuteride spectra of the secondrow transition metals", Proc . Roy. Soc. London, Ser. A,

332(1588), 113-127 (1973), CA78(12) : 77638g, absorption spectra,

electronic energy levels, vibrational analysis

Scott, J.E., Jr., "Atomic interactions basic to macroscopicproperties of gases", U. S., Aerosp. Res. Lab., Report,ARL-TR-74-0103 . 102pp (1974), CA82(16) : 103278u, dissociationenergy

24


IRON HYDRIDE (FeH, FeH+, FeH')

75SCO/RIC

76CAR/MCC

76MCC/0'C

77MID

Scott, P.R., Richards, W.G., "Electronic structure of iron hydride

(FeH)", J. Chem. Phys.

, 63(4), 1690-1691 (1975),

CA83(18) :154845e, electronic structure

Carroll, P.K. , McCormack, P., O'Connor, S., "Iron hydride:

laboratory studies and solar identification", Astrophys. J.,

208(3, Pt. 1), 903-913 (1976), CA85(18) : 133973w, spectra

McCormack, P., O'Connor, S., "Wavelengths and line intensities for

the 4920 P, 5320 P and 8690 P bands of iron hydride (FeH)", Astron.

Astrophys.. Suppl. Ser.. 26(3), 373-380 (1976), CA86(14) :98398j

,

visible spectra

Middle ton, R. , "A survey of negative ions from a cesium sputter


CA87(24):190803f , formation

77TAR Tarafdar, S.P., "Partition functions and equilibrium constants of

some positive molecular ions", J. Quant. Spectrosc. Radiat.

Transfer, 17(4), 537-542 (1977), CA86(24) : 179681y ,partition

function

78GEL Gelatt, CD. , "Calculated heats of formation of metal and metal

alloy hydrides". Hydrides Energy Storage, Proc. Int. Symp. , 1977,

Eds: Andresen, A.F., Maeland, A.J., Pergamon, Oxford, England,

193-204 (1978), CA91(8) :63504s, enthalpy of formation

78GEL/EHR Gelatt, CD. , Jr. , Ehrenreich, H. , Weiss, J. A., "Transition-metal

hydrides: Electronic structure and the heats of formation", Phys.

Rev. B, 1Z(4), 1940-1957 (1978), CA88(26) :197793g, enthalpy of

formation

79ALT/BLA Alton, CD., Blazey, G.C , "Studies associated with the developmentof a modified University of Aarhus negative ion source", Nucl.

Instrum. Methods, 166(2). 105-116 (1979), CA92(6) :48932g,

formation

79DEN/VAN Dendramis , A., Van Zee, R.J., Weltner, W. , Jr., "The iron hydride(FeH) molecule at 4 K" , Astrophys. J., 231(2, Pt.l). 632-636

(1979). CA91 (14) :114813b. matrix isolation spectra

25


IRON HYDRIDE (FeH, FeH+, FeH")

79DIX/ROB Dixon, R.N. , Robertson, I.L., "A comparison of semilocal and

nonlocal pseudopotential techniques calculations on iron and iron

monohydride cation", Mol. Phys.

, 37(4), 1223-1237 (1979),

CA91(24) :199159r, dissociation energy

80BAR/LIT Bar-Nun, A., Litman, M. , Pasternak, M. , Rappaport, M.L. , "The

formation of hydrocarbons and iron-hydrides on cold interstellar

grains -experimental studies", Symp . - Int. Astron, Union,

(Interstellar Mol.), 87, 367-371 (1980), CA94(14) :112257m,

hydrogen reaction

80BQU/MIE Bouten, P.C.P., Miedema, A.R. , "On the heats of formation of the

binary hydrides of transition metals", J. Less-Common Met.,

71(1), 147-160 (1980), CA93(10) : 102263a, enthalpy of formation

80KHA/KRA Kharitonov, Yu.Ya. , Kravtsova, G.V., "Empirical dependences between

force constants and bond length for iron, cobalt, and nickel

hydrides", Zh. Neorg. Khim. , 25(11), 3053-3058 (1980),

CA94(12) :92726h, Eng. transl., Russ. J. Inorg. Chem. , 25,


81ARM/HAL Armentrout, P.B., Halle, L.F., Beauchamp, J.L, , "Periodic trends in

transition metal -hydrogen, metal -carbon, and metal -oxygen bond


structure", J. Am. Chem. Soc, 103(21), 6501-6502 (1981),

CA95(18) :156742r , ionization potential, dissociation energy

8IDAS Das, G. , "A pseudopotential study of the iron- series transition

metal hydrides", J. Chem. Phys.. 74(10), 5766-5774 (1981),

CA95(2) : 13166v, dissociation energy, vibrational analysis

81KAN/M00 Kant, A. , Moon, K.A. , "Mass spectrometric determination of the

dissociation energies of gaseous alumintim hydride, gallium hydride,

indium hydride, scandium hydride, and cobalt hydride and estimationof the maximum dissociation energies of thallium hydride, chromium

hydride, manganese hydride, and iron hydride", High Temp. Sci.,

14(1), 23-31 (1981), CA95(12):103738n, dissociation energy

81KHA/KRA Kharitonov, Yu.Ya., Kravtsova, G.V. , "Thermodynamic functions of

diatomic hydrides of Group VIII metals", Zh, Neorg. Khim., 26(5),

1198-1201 (1981), CA95(4):31394x, Eng. transl., Russ. J. Inorg.

Chem,, 26, 645-647 (1981), thermodynamic properties

26



82SAK/PIC Sakurai, T., Pickering, H.W., "High-performance time-of -flight atom

probe for hydrogen characterization in metals", Adv. Tech. Charact.

Hydrogen Met. , Proc . Symp.

, 1981, Eds: Fiore, N.F., Berkowitz,

B.J., Metall. Soc . AIME , Warrendale , PA, 171-181 (1982),

CA98(14) :111782z, hydrogen reaction

82SAK/PIC2 Sakurai, T., Pickering, H.W., "High performance time-of-flight

atom-probe for characterization of hydrogen in metals", AIP Conf.

Proc, (Phys. Steel Ind.), 84, 99-112 (1982), CA98(4)

:

20254n,

hydrogen reaction

83BAL/LIN Balfour, W.J., Lindgren, B., O'Connor, S., "Rotational analysis of

the 9877 and 8960 A bands of iron deuteride (FeD)", Phys. Scr.,

28(5), 551-560 (1983), CA100(6) : 42141k, rotational analysis,

absorption spectra, emission spectra, electronic energy levels

83BAL/LIN2 Balfour, W.J., Lindgren, B., O'Connor, S., "On the 1 /im system of

iron hydride", Chem. Phys. Lett., 96(2), 251-252 (1983),

CA98(20) : 169712t , electronic energy levels, rotational analysis

83CAR/SAL Carlin, T.J., Sallans , L. , Cassady, C.J., Jacobson, D.B., Freiser,


(FeD"*", CoD+, and NiD+) with hydrocarbons", J. Am. Chem.


potential

83STE/FEI Stevens, A.E., Feigerle, C.S., Lineberger, W.C, "Laser

photoelectron spectroscopy of manganese hydride (MnH") and iron

hydride (FeH'): electronic structures of the metal hydrides,

identification of a low-spin excited state of manganese hydride

(MnH) , and evidence for a low- spin ground state of iron hydride

(FeH)", J. Chem. Phys., 78(9), 5420-5431 (1983), CA99(4) : 30261x,

electron affinity, electronic energy level

83WAL/BAU Walch, S.P., Bauschlicher , C.W., Jr., "CASSCF/CI calculations for

first row transition metal hydrides: The titanium hydride(TiH)(^<J>), vanadium hydride (VH)(^A), chromium hydride(CrH)(6s+), manganese hydride (MnH)(72+), ironhydride (FeU) (^ '^A) , and nickel hydride (NiH)(2A)

states", J. Chem. Phys., 78(7), 4597-4605 (1983),

CA98(20) : 167166u, electronic energy level

27

JANAF THERMOCHEI'ICAL TABLES - IRON BIBLIOGRAPHIES


84HAL/KLE Halle, L.F., Klein, F.S., Beauchamp , J.L., "Properties and

reactions of organometallic fragments in the gas phase. Ion beam

studies of hydridoiron(l+) ion", J. Am. Chem. Soc., 106 (9)

.

2543-2549 (1984), CA100(25) : 210081m, dissociation energy

84MAN/HAL Mandich, M.L., Halle, L.F., Beauchamp, J.L., "Determination of the

metal -hydrogen and metal-methyl bond dissociation energies of the

second-row, Group 8 transition metal cations", J. Am. Chem. Soc.,

106(16), 4403-4411 (1984), CAlOl (9) : 72937n, dissociation energy

84PAS/VAN Pasternak, M. , Van der Heyden, M., Langouche , G., "The

characterization of iron hydride (FeH) molecules by Moessbauer

spectroscopy", Chem. Phys . Lett., 104(4), 398-400 (1984),

CA100(18) : 148027t, Moessbauer spectroscopy

84WAL Walch, S.P., "Theoretical evidence supporting the '^A

ground-state assignment for iron hydride (FeH)", Chem. Phys. Lett

105(1), 54-57 (1984), CA100(18) : 145197n , electronic energy level

84WIN Winkel , R.J., "Infrared spectra of diatomic molecules of

astrophysical interest - carbon monosulfide, sulfur monohydride,

iron hydride" , Dissertation, 192pp (1984), CA104(12) : 98471t

,

spectra, available Univ. Microfilms Int., Order No. DA8513044 from

Diss. Abstr. Int. B 1985, 46(4), 1216

85SAL/LAN Sallans , L. , Lane, K.R. ,. Squires , R.R., Freiser, B.S., "Generation

and reaction of atomic metal anions in the gas phase. Determination

of the heterolytic and hemolytic bond energies for the vanadium,

chromium, iron, cobalt, and molybdenum hydrides VH , CrH, FeH, CoH,

andMoH", J. Am. Chem. Soc, 107(15), 4379-4385 (1985),

CA103 (6) : 42997f , dissociation energy

86ALT/BEC Alton, G.D., Beckers, R.M., Johnson, J.W., "A radial geometry

cesium plasma source with improved mechanical features", Nucl

.

Instrum. Methods Phys. Res., Sect. A, A244 (l-2) . 148-154 (1986),

CA104(16) : 137548v, negative formation

28



86CHI/LAN Chiong, D.P., Langhoff, S.R., Bauschlicher , C.W., Jr., Walch,

Partridge, H. , "Theoretical dipole moments for the first-row

transition metal hydrides", J. Chem. Phys.

, 85(5), 2850-2860


S.P.

86ELK/ARM Elkind, J.L., Armentrout, P.B., "Transition-metal hydride bond


(1986), CA104C20) :177178f , dissociation energy

86K0L/GAG Kol^anovskii , Yu.A. , Gagarin, S.G., "Orbital resonance in gaseous

reactions between metal monohydride ions and methane", Izv. Akad.

Nauk SSSR, Ser. Khira., (6), 1291-1294 (1986), CA105(14) : 121181e,


86SCH/G0D Schilling, J.B., Goddard, W.A. , III, Beauchamp, J.L., "Theoretical

studies of transition-metal hydrides. 1. Bond energies for MH"*"

with M = Ca, Sc, Ti , V, Cr, Mn, Fe , Co, Ni , Cu, and Zn" , J. Am.

Chem. Soc, 108(4), 582-584 (1986), CA104(12) : 95921d,

dissociation energy

87DOLAfED Dolg, K. , Wedig, U. , Stoll, H. , Preuss, H. , "Ab initio

pseudopotential study of the first row transition metal monoxidesand iron monohydride", J. Chem. Phys., 86(4), 2123-2131 (1987),CA106(24) :202095c, electronic ground state

29

JANAF THERMOCHEMICAL "^ABLES - IRON BIBLIOGRAPHIES

IRON IODIDE (Fel, Fel+, Fel")

84GRA/R0S Grade, M., Rosinger, W. , Dowben, P. A., "Core and valence electron

binding energies of iron(II) iodide and stabilities of gas phase

species", Ber. Bunsen-Ges. Phys . Chem., 88(1), 65-71 (1984),

CA100( 10) ; 74331p , ionization potential, dissociation energy

85GRA/ROS Grade, M., Rosinger, W., "Correlation of electronic structures and

stabilities of gaseous Fel2, Fe2l2 ai^d Fe2l4

molecules, solid [Fel2], and iodine absorbed on [ Fe ]

" , Surface

Sci., 156, 920-929 (1985), CA103 (10) : 76670J , ionization

potential, electronic structure

85HI-L/VIS Hilpert, K., Viswanathan, R., Gingerich, K.A., Gerads , H.

D., "Vaporization of Fel2(s) and the thermochemistry of

Fel2(g), (Fel2)2(g)- (Fel2)3(g), and

Fel3(g)", J. Chem. Thermodyn. , 17(5), 423-436 (1985),

CA103(4) : 28216u, appearance potential

Kobertz

30

JANAF THERMOCHEMICAL TABLES - NICKEL BIBLIOGRAPHIES

NICKEL BROMIDE (NiBr, NiBr+, NiBr")

37MES

39MES

52KRI


Compt. Rend., 204, 1929-1931 (1937), CA31 : 6108 (8) , emission


Mesnage, P., "Researches on high-frequency discharges and their

application to molecular spectroscopy", Ann. Phys . , (11), il

,

5-87 (1939), CA33 :8112(4) , emission spectra, vibrational analysis,


Krishnamurty , V.G., "Complex band spectrum of nickel bromide",

Curr. Sci. (India), 21, 98 (1952), CA46:10879i, emission

spectrum, vibrational analysis, electronic energy levels, See also

CA51 :7850c

52KRI2 Krishnamurty, V.G., "The complex band spectrum of nickel bromide",

Indian J. Phys., 26, 429-441 (1952), CA51:7850c, vibrational

analysis, emission spectra, electronic energy levels. See also

CA46: 108791

60RED/EIAO Reddy, S.P., Rao, P.T., "The band spectra of NiCl and NiBr in the

visible", Proc . Phys. Soc. ,

(London), 75, [Pt.2], 275-279 (1960),

CA54 :17040a, vibrational analysis, emission spectra, electronic

energy levels

61BUL/PHI Bulewicz, E.M., Phillips, L.F., Sugden, T.M., "Determination of

dissociation constants and heats of formation of molecules by flame

photometry. VIII. Stabilities of the gaseous diatomic halides of

certain metals" , Trans. Faraday Soc, 57, 921-931 (1961),

CA56:73f, dissociation energy

6 2 SUN Sundarachary , N. , "Emission spectrum of NiBr", Proc. Natl. Acad.

Sci., India Sect. A, 32111, 311-319 (1962), CA58:10863f, emissionspectrum

64MCK McKinley, J.D., "Mass spectrometric investigation of the

nickel-bromine surface reaction", J. Chem. Phys., 40(2), 576-581

(1964), CA60:3709g, formation

79DAR/SHA Darj i , A. B., Shah, N. R. , "New band system of nickel(I) bromide

molecule in the near ultraviolet region", Curr. Sci., 48(18)

.

809-810 (1979), CA91(24) : 201532c , vibrational analysis, emissionspectra, electronic energy levels

31


NICKEL BROMIDE (NiBr, NiBr+, NiBr")

80GOP/JOS Gopal, R. , Joshi, M. M. , "New band systems of nickel bromide

molecule invisible region", Pramana, 15(4), 349-356 (1980),

CA94(2) : 9512s , emission spectra, electronic energy levels,


81G0P/J0S Gopal, R. , Joshi, M. M. , "Thermal emission spectrum of H -* X and

I - X systems of nickel bromide molecule", Curr. Sci., 50(24),

1061-1063 (1981), CA96(8) :60290m, emission spectrum, vibrational

analysis, electronic energy levels

82B0E/SCH Boehm, M. C. , Schmidt, P. C, Sen, K. D. , "Molecular orbital

electronegativities of transition metal fragments: a MO approach

based on the transition operator method", THEOCHEM, 4(1), 43-52

(1982), CA96(22):187490g, electron affinity

82G0P/J0S Gopal, R. , Joshi, M. M. , "Thermal emission spectrum of nickel

monobromide molecule in the region AA4845-4300 P" , Indian J.

Pure Appl. Phys., 20(9), 763-764 (1982), CA98(4) : 24931d,

vibrational analysis, emission spectra, electronic energy levels

85G0P/J0S Gopal, R. , Joshi, M. M. , "Vibrational analysis of violet spectrum

of nickel bromide (NiBr) molecule", Indian J. Phys., B, 59B(4)

,

309-312 (1985), CA103(18) : 149933J , vibrational analysis, emission


86KHA/GER Kharitonov, Yu. Ya. , Gerzha, T. V., Averbukh, B. S., Kuznetsov, S.

L. , "Thermodynamic properties of gaseous di-and monohalides of

iron, cobalt and nickel", Zh. Neorg. Khim. , 31(7), 1679-1683

(1986), CAl05(14):121784d, Eng. transl., Russ. J. Inorg. Chem.

,

31(7), 961-963 (1986), thermodynamic properties

32


NICKEL CHLORIDE (NiCl, NiCl+, NiCl")

37MOR More, K.R. , "Band spectra of NiCl and CoCl", Phys . Rev., 51, 1019

(1937), CA32: 5294(4) , emission spectra, vibrational analysis,


38MIE Miescher, E. , "Molecular spectra of halogens of the ion group,

particularly FeCl", Helv. Phys. Acta, 11 , 463-468 (1938),

emission spectra

38MOR More, K.R. , "Spectra of the monochlorides of nickel, cobalt and

iron", Phys. Rev., 54, 122-125 (1938), CA32 : 7342(9) , emission

spectrum, vibrational analysis, electronic energy levels

39MES Mesnage, P., "Researches on high-frequency discharges and their

application to molecular spectroscopy", Ann. Phys., (11), 12 .

5-87 (1939), CA33 : 8112(4) , vibrational analysis, emission spectra,


52KRI Krishnamurty , V.G., "The complex band spectrum of nickel chloride",

Indian J. Phys., 26, 207-225 (1952), CA47:1487c, emission spectra,

vibrational analysis, electronic energy levels, See also CA46:10879h

52KRI2 Krishnamurty, V.G. , "Complex band spectrvim..of nickel chloride",

Curr. Sci. (India), 21, 66 (1952), CA46:10879h, emission spectra,

vibrational analysis, electronic energy levels, see also CA47 :1487c

56SCH/BRE Schafer, V.H., Breil, G., "Uber die neigung zur bildung gasformigertrichloride bei den elementen Cr, Mn, Fe , Co, Ni , untersuchmit der

reaktion MeCl2gas + 1/2C12 = MeCl3gas", Z. Anorg. Allg.

Chem. , 283, 304-313 (1956), enthalpy of formation

57ALL Allen, T. , "Bond energies of transition metal halides", J. Chem.

Phys., 26(6), 1644-1647 (1957), CA51:17278, dissociation energy

59SCH/ETZ Schafer, H., Etzel, K. , "Chemical transport reactions. VI. Thetransport of metallic iron and nickel by the reaction M + 2HC1 =

MCI2 and NiCl", Z. Anorg. Allg. Chem., 301. 137-153 (1959),CA54:2896g, enthalpy of formation

60RED/RAO Reddy, S.P., Rao, P.T., "The band spectra of NiCl and NiBr in the

visible", Proc. Phys. Soc . (London), 75, 275-279 (1960),CA54 :17040a, emission spectra, vibrational analysis, electronicenergy levels

33


NICKEL CHLORIDE (NiCl , NiCl+, NiCl")

61BUL/PHI

62MCK

Bulewicz, E.M. , Phillips, L.F., Sugden, T.M., "Determination of



certain metals" , Trans. Faraday . Soc.

, 52, 921-931 (1961),


McKinley, J.D., "Transitional energy accomodation in the

nickel-chlorine surface reaction", J. Phys . Chem. , 65(3), 554-556

(1962), CA56:12351e, formation

62RAO/RED Rao, S.V.K., Reddy, S.P., Rao, P.T., "New band systems of NiCl in

the photographic infrared", Z. Physik, 166, 261-264 (1962),

CA56:8174d, emission spectra, vibrational analysis, electronic

energy levels

63SMI/FIT Smith, J.N., Jr., Fite, W.L., "Gas-surface interactions using

modulated-atomic-beam techniques", Proc . Intern. Symp . Rarefied Gas

Dyn. , 1, 430-453 (1963), CA62:3419f, enthalpy of formation

64MCK McKinley, J.D., "Mass-spectrometric investigation of the

high- temperature reaction between nickel and chlorine", J. Chem.

Phys., 40, 120-125 (1964), CA60:2356a, appearance potential

65STA/GUI Stahel, E., Guillissen, J., "Spectra of matrix- isolated NiF2

andNiCl2", J. Chem. Phys., 42(3), 902-905 (1965), discussionof Miescher article

69RA0/RA0 Rao, N. V. K., Rao, P. T., "Emission spectrum of nickelmonochloride", Curr. Sci., 38(24), 589-590 (1969),

CA72(10) :49329q , emission spectra, vibrational analysis, electronicenergy levels, rotational analysis

71RA0/DAD Rao, B. S., Dadape , V. V., "Sublimation pressure of nickeldichloride and the study of the reactionNi(c)-^NiCl2(g)=2NiCl(g)", High Temp. Sci.. 3(1), 1-9 (1971),

CA75(2) :11175k, enthalpy of formation

76WIE Wiedijk, P., "Simultaneous microdetermination of water and oxygenin metal halides by reductive fusion in an inert gas". Anal. Chim.

Acta, 81(1), 105-110 (1976). CA85 (4) : 28210x , formation

34


NICKEL CHLORIDE (NiCl, NiCl+, NiCl")

80DAR/SHA

81G0P

81G0P/J0S

82BOE/SCH

Dar j i , A. B., Shah, N. R., "New spectrum of nickel chloride (NiCl)

molecule in the near ultraviolet region", Indian J. Pure Appl

.

Phys., 18(10), 802-805 (1980), CA93 (24) : 227962J ,emission

spectra, vibrational anaj-ysis, electronic energy levels

Gopal, R. , "Thermal emission spectrum of B -> X system of nickel

chloride (NiCl) molecule", Curr. Sci., 50(19), 854-855 (1981),

CA95(24) : 212367m, emission spectra, vibrational analysis,

electronic energy xevels

Gopal, R. , Joshi, M. M., "New band systems of nickel monochloride

molecule", Indian J . Phys., [Part] B, 55B(5), 368-376 (1981),

CA96(4) : 26534J , emission spectra, vibrational analysis, electronic

energy levels

Boehm, M. C, Schmidt, P. C, Sen, K. D., "Molecular orbital

electronegativities of transition metal fragments: a MO approach

based on the transition operator method", THEOCHEM, 4(1), 43-52

(1982), CA96(22) :187490g, electron affinity

82GOP/JOS Gopal, R., Joshi, M. M., "Thermal emission spectrum of the nickel

monochloride molecule in AA4730-4390 P region", Indian J. Pure

Appl. Phys.., 20(4), 280-283 (1982), CA97 (2) : 14385u, emission

spectra, vibrational analysis, electronic energy levels

83GOP/JOS Gopal, R., Joshi, M. M., "Thermal emission spectrum of nickel

monochloride molecule in violet region", Indian J. Pure Appl.

Phys., 21(10), 595-598 (1983), CAlOO (6) : 42117g, emission spectra,

vibrational analysis, electronic energy levels

83SHA/DAR Shah, P. M., Darj i , A. B., Shah, N. R., "New spectrum of nickel

monochloride molecule", Indian J. Pure Appl. Phys., 21 (10) .

617-618 (1983), CA100(6) : 42203g , emission spectra, vibrational

analysis, electronic energy levels

86RYZ/KHO Ryzhov , M . Yu.

, Khodeev, Yu . S.

, "High temperature thermodynamic


formation of monofluorides , monochlorides , difluorides, and

dichlorides of iron and nickel in the gas phase" , Eleventh

All-Union Conference on Calorimetry and Chemical Thermodynamics,

Novosibirsk, Part 1, 132-133 (1986), dissociation energy

35

JANAF THERMOCHE.IICAL TABLES - NICKEL BIBLIOGRAPHIES

NICKEL FLUORIDE (NiF, NiF+, NiF')

53KRI Krishnamurty, V.G., "The band spectrum of nickel fluoride", Indian

J. Phys., 27, 354-358 (1953), CA51:7850b, emission spectra,


64BAL/M0C Balkanski , M. , Moch, P., Parisot, G., "Infrared spectra of lattice

vibrations of nickel fluorides", Compt. Rend., 258, 2785-2787

(1964), CA63:153f, infrared spectra

64EHL/KEN Ehlert, T.C., Kent, R.A., Margrave, J.L., "Mass -spectrome trie

studies at high temperatures. VI. The sublimation pressure of

nickel(II) fluoride", J. Am. Chem. Soc, 86, 5093-5095 (1964),

CA62:2261f, enthalpy of formation

66MCK McKinley, J.D., "Mass-spectrometric investigation of the

nickel -fluorine surface reaction", J. Chem. Phys., 45(5)

.

1690-1693 (1966), CA65:12984a, formation

66POL Polyachenok, 0. G., "Dissociation energy of diatomic halide

molecules", Zh. Fiz . Khim. , 40(10), 2644-2647 (1966),

CA66 (6): 22846V, Eng. transl., Russ. J. Phys. Chem., 40, 1420-1422

(1966) , dissociation energy

71M0V/KUZ Movchan, B. A., Kuz'min, G. S., Mochalova, T. F. , Karatysh, V. V.

,

Tikhonovskii, A. L. , Yagupol' skaya, L. N. , "Corrosion of nickel of

varying purity in gaseous hydrogen fluoride", Zashch. Metal.,

7(1), 32-34 (1971), CA74(16) : 78875m, Eng. transl.. Protection of

Metals, 7, 22-23 (1971), formation

73RIC/BEA Rice, W. W. , Beattie, W. H. , "Metal atom oxidation lasers", Chem.

Phys. Lett.. 19(1), 82-85 (1973), CA78(20) : 130369y , emissionspectra, formation

78DEV/VAN DeVore , T. C, Van Zee, R. J., Weltner, W. , Jr., "An investigation

of the first row transition - metal fluoride molecules using ESR

spectroscopy", Proc . - Electrochem. Soc, Proc . Symp. High Temp.

Met. Halide Chem., 1977, 78-1 . 187-198 (1978), CA89(14) : 120290d,

ground state, electronic configuration

79PIN/LEF Pinchemel, B., Schamps, J., "Rotational analysis of a

^A-^n system of nickel fluoride (NiF)", J. Mol.

Spectrosc, ZZd) , 29-35 (1979), CA91(6) :46807a, rotationalanalysis, electronic energy levels, emision spectra

36


NICKEL FLUORIDE (NiF. NlF+, NiF')

81G0P/J0S Gopal, R. , Joshi, M. M. , "New band systems of the nickel fluoride

(NiF) molecule", Curr . Sci., 50(12), 530-531 (1981),

CA95(8) : 70367k, vibrational analysis, emission spectra, electronic

energy levels

81G0P/SIN Gopal, R. , Singh, L. K. , Joshi, M. M. , "Thermal emission spectrum

of H - X and I - X systems of nickel(I) fluoride molecule",

Indian J. Phys., [Part] B, 55B(6), 507-509 (1981),

CA96(16) :132536w, emission spectra, vibrational analysis,


81PIN Pinchemel, B., "Rotational analysis of a ^"^Tl-X^Z^

transition of nickel monofluoride", J. Phys. B, 14(15), 2569-2573

(1981), CA95(26) :228311z, rotational analysis, electronic energy

levels, emission spectra

84SAU/TAT Sauval, A. J., Tatum, J. B. , "A set of partition functions and


interest", Astrophys. J., Suppl. Ser., 56(2), 193-209 (1984),

CA101(22) :200866c, thermodynamic properties

86BAI/HIL Bai, J., Hilborn, R.C., "Chemiluminescence and laser-induced

fluorescence of nickel fluoride (NiF)", Chem. Phys. Lett.,

128(2), 133-136 (1986), CA105(12) : 105044g, electronic energy

levels, chemiluminescence, fluorescence

86RYZ/KHO Ryzhov, M.Yu. , Khodeev, Yu.S., "High temperature thermodynamic


formation of monofluorides , monochlorides , difluorides, anddichlorides of iron and nickel in the gas phase". EleventhAll-Union Conference on Calorimetry and Chemical Thermodynamics,Novosibirsk, Part 1, 132-133 (1986), dissociation energy

37


NICKEL HYDRIDE (NiH, NiH+, NiH"

)

34GAY/PEA Gaydon, A.G., Pearse , R.W.B., "Spectrum of nickel hydride", Nature,

134 . 287 (1934), CA28 : 7155(9) , spectra

35GAY/PEA Gaydon, A.G., Pearse, R.W.B., "Band spectrum of nickel hydride:

Bands at A5713, A6246, and A6424" , Proc . Roy Soc . A (London),

A148 . 312-335 (1935), CA29 : 2847 (5) , spectra

36HEI Heimer, A., "Band spectra of NiH and CoH" , Naturwissenschaten,

24, 413 (1936), CA31:33(9), spectra

37HEI Heimer, A., "The red band spectrum of nickel hydride", Z. Physik,

105 . 56-72 (1937), CA31 : 5270(3) , spectra

37HEI2 Heimer, A., Theses, Stockholm (1937), spectra

46GUG Guggenheimer , K.M. , "New regularities in vibrational spectra",

Proc. Phys. Soc. (London), 58, 456-468 (1946), CA40:6991,

vibrational spectra

59VAR/MIT Varshni, Y.P., Mitra, S.S., Shukla, R.C., "Spectroscopic constants

of molecules. VII. Relation between force constant and equilibrium

internuclear distance for hydride diatoms", Indian J. Phys., 33 .

473-482 (1959), CA54:10496a, bond distance

63AND/LAG Andersen, E., Lagerqvist, A., Neuhas , H., Aslund, N. , "Bands of NiH

and NiD in the violet region of the spectrum", Proc. Phys. Soc,82(528), 637-638 (1963), CA59:10897a, emission spectra

64ASL/NEU Aslund, N., Neuhas, H., Lagerqvist, A., Andersen, E. , "Rotational

analysis of violet bands of NiH and NiD", Arkiv Fysik, 28(24),

271-283 (1964), CA63:10866g, rotational analysis, electronic energy

levels

6 5CAR/CAR

6 6POL

Carbo, R. , de Carbo, C.A., Molina, J., "Calculation of the energy

of the ground state of diatomic molecules by an L.C . A.O. -S.C.F.

method", Afinidad, 22(240), 403-405 (1965), CA64:18677e,

dissociation energy

Politzer, P. , "Bond lengths and atomic orbital radii in the

diatomic hydrides", J. Phys. Chem. , 70(12), 4041-4044 (1966),CA66(6) :22408d, bond lengths

38

JANAF THEELMOCHEMICAL TABLES - NICKEL BIBLIOGRAPHIES

NICKEL HYDRIDE (NiH, NiH+, NiH")

73SMI

74SCH

Smith, R. E. , "Diatomic hydride and deuteride spectra of the second

row transition metals", Proc . Roy. Soc . London, Ser. A,

332(1588), 113-127 (1973), CA78 ( 12) : 77638g , absorption spectra,


Schneider, J., "Internal partial function of two atom molecules in

a polynomial representation", Z. Phys . Chem. (Leipzig), 255 (5) .

986-996 (1974), CA82 (22) : 145259u , thermodynamic properties

7 7DUN/CON Dunlap, B. I., Connolly, J. W. D., Sabin, J. R., "On the

applicability of LCAO-Xq methods to molecules containing

transition metal atoms: the nickel atom and nickel hydride", Int

J. Quantum Chem., Symp.

, Proc. Int. Symp . At., Mol. , Solid-State

Theory, Collision Phenom., Comput . Methods, H, 81-87 (1977),

CA87(26) :206933m, dissociation energy

77GUS/BLI Guse, M. P., Blint, R. J., Kunz , A. B., "Potential energy curves

for nickel monohydride and nickel dihydride" , Int. J. Quantum

Chem., 11(5), 725-732 (1977), CA87 (4) : 29334u, potential energy

curve

77MID Middleton, R. , "A survey of negative ions from a cesium sputter


CA87(24) :190803f , formation

78WRI/BAT Wright, R. B., Bates, J. K. , Gruen, D. M. , "Matrix- isolation

spectroscopy of aluminum, copper, and nickel hydrides and

deuterides produced in a hollow- cathode discharge", Inorg. Chem.

17(8). 2275-2278 (1978), CA89(12) : 97307d, vibrational analysis

79KAN/MOO

80ARM/BEA

80DEV

Kant, A., Moon, K.A., "Dissociation energies of gaseous copper,

silver, gold, and nickel hydrides". High Temp. Sci., 11(1), 55-62

(1979), CA91(20):163953f , dissociation energy

Armentrout, P. B., Beauchamp , J. L. , "Endothermic reactions of

nickel(l+) ion with diatomic hydrogen, hydrogen deuteride, and

diatomic deuterium", Chem. Phys., 50(1), 37-43 (1980),

CA93(22) :210402d, dissociation energy

DeVore , T. C.-, "Rotational analysis of the 502.64 nm band of nickel

hydride". High Temp. Sci., 12(4), 259-266 (1980),

CA94(18) :147881n, rotational analysis

39



80DUN/YU Dunlap, B. I., Yu, H. L. , "An extended basis set LCAO Xa

treatment of nickel monohydride and diatomic nickel", Chera. Phys

.

Lett., 73(3), 525-529 (1980), CA93(14) : 138260m, dissociation

energy

80KHA/KRA Kharitonov, Yu. Ya., Kravtsova, G. V., "Empirical dependences

between force constants and bond length for iron, cobalt, and

nickel hydrides", Zh. Neorg. Khim. , 25(11), 3053-3058 (1980),

CA94(12) :92726h, Eng. transl., Russ. J. Inorg. Chem. , 25,


81ARM/HAL Armentrout , P.B., Halle, L.F., Beauchamp, J.L., "Periodic trends in

transition metal -hydrogen, metal-carbon, and metal-oxygen bond


structure", J. Am. Chem. Soc, 103, 6501-6502 (1981),.

CA95(18) : 156742r , ionization potential, dissociation energy

81BAG/BJ0 Bagus , P.S., Bjoerkman, C, "Electronic structure of transition

metal hydrides: nickel hydride (NiH) and palladium hydride (PdH)",

J'hys. Rev. A, 23(2), 461-472 (1981), CA94(10) : 71802q , electronic

energy levels

81DAS Das, G., "A pseudopotential study of the iron-series transition

metal hydrides", J. Chem. Phys., 74(10), 5766-5774 (1981),

CA95(2) : 13166v, dissociation energy

81KHA/KRA Kharitonov, Yu. Ya., Kravtsova, G. V., "Thermodynamic functions of

diatomic hydrides of Group VIII metals", Zh. Neorg. Khim., 26(5),1198-1201 (1981), CA95(4):31394x, Eng. transl., Russ. J. Inorg.

Chem., 26., 645-647 (1981), thermodynamic properties

81NIC Nicholls, R. W. , "Franck- Condon factor formulas for astrophysicaland other molecules", Astrophys. J., Suppl. Ser., 47(3), 279-290

(1981), CA96(8) :60604s, Franck-Condon factor

82MET/KUE Methfessel, M. , Kuebler, J., "Bond analysis of heats of formation:application to some Group VIII and IB hydrides", J. Phys. F,

12(1), 141-161 (1982), CA96(18):150087e, enthalpy of formation

82SCU/LOE Scullman, R. , Loefgren, S., Kadavathu, S. A., "The spectrum ofnickel hydride (NiH). Some new transitions", Phys. Scr-. , 25(2) .

295-301 (1982), CA96(20) : 171521g, electronic energy levels

40


NICKEL HYDRIDE (NiH, NiH+, NiH')

82WAL/BAU Walch, S.P., Bauschlicher , C.W., Jr., "On incorporaCion of atomic

correlation in transition metal molecular calculations: nickel

monohydride", Chem. Phys . Lett., 86(1)- 66-70 (1982),

CA96(18) : 149486c , dissociation energy

83CAR/SAL Carlin, T.J., Sallans, L. , Cassady, C.J., Jacobson, D.B., Preiser,


(FeD"*", CoD"*", and NiD"*") with hydrocarbons", J. Am. Chem.


potential

83RAJ/RAT Rajulu, A. V., Ratnam, S. R., Reddy, R. R., "Electronegativities in

the calculation of diatomic molecular parameters (hydrides of some

transition elements)", J. Quant. Spectrosc. Radiat. Transfer,

29(1), 85-88 (1983), CA98(8) : 62295g, electron affinity

83WAL/BAU Walch, S.P., Bauschlicher, C.W. , Jr., "CASSCF/CI calculations for

first row transition metal hydrides: the TiH ^^ , VH Â,

CrH ^2+, MnH ^2+, FeH ^.Â, and NiH

Â states", J. Chem. Phys., 78(7), 4597-4605 (1983),CA98(20) : 167166u, electronic energy level, hydride

84MAN/HAL Mandich, M. L. , Halle, L. F., Beauchamp, J. L. , "Determination ofthe metal -hydrogen and metal-methyl bond dissociation energies ofthe second-row, Group 8 transition metal cations", J. Am. Chem.Soc, 106(16), 4403-4411 (1984), CA101(9) : 72937n, dissociationenergy

84RUE/BLY Ruette, P., Blyholder, G., Head, J., "Bonding and potential energycurves for nickel hydrides (NiH and NiH2)", J. Chem. Phys.,80(5), 2042-2048 (1984), CA100(20) : 162051c

, potential energycurve

84SAU/TAT Sauval , A. J., latum, J. B., "A set of partition functions andequilibrium constants for 300 diatomic molecules of astrophysicalinterest", Astrophys. J., Suppl. Ser. , 56(2), 193-209 (1984),CA101(22) : 200866c , thermodynamic properties

84TSO/KIN Tsong, T. T., Kinkus , T. J., "Energy distributions of pulsed-laserfield-desorbed gaseous ions and field-evaporated metal ions: Adirect time-of -flight measurement", Phys. Rev. B: Condens . Matter,29(2), 529-542 (1984), CA100(12) : 91849f , formation

41



85BOR/TYU Borodyuk, N. R. , Tyulin, V. I., "Calculation of lower limit for the

equilibrium internuclear distances in excited electronic states of

diatomic molecules", Vestn. Mosk. Univ., Ser. 2: Khim. , 26(6),

546-551 (1985), CA104(16) : 138351n, bond length

85GRA/RIC Gray, J. A., Rice, S.F., Field, R.W., "The electric dipole moment of

nickel hydride (NiH) 2A5/2 and B2A5/2" , J.

Chem. Phys., 82(10), 4717-4718 (1985), CA103 (2) : 15406f

,

electronic energy level, dipole moment

85WAL/BAU Walch, S.P., Bauschlicher , C.W., Jr., Langboff, S.R., "Calculated

electric dipole moment of nickel hydride (NiH)2A", J. Chem.

Phys., 83(10), 5351-5352 (1985), CA103 (26) : 225591p , dipole

moment, electronic energy level

86CHI/LAN Chiong, D.P., Langboff, S.R., Bauschlicher, C.W., Jr., Walch, S.P.,

Partridge, H., "Theoretical dipole moments for the first-row

transition metal hydrides", J. Chem. Phys., 85(5), 2850-2860


86CHO/LAN Chong, D.P., Langhoff, S.R., "A modified coupled pair functional

approach", J. Chem. Phys., 84(10), 5606-5610 (1986),

CA105(4) : 30217e , dissociation energy, bond length

86ELK/ARM Elkind, J. L. , Armentrout, P. B., "Transition-metal hydride bond


(1986), CA104(20) :177178f , ionization potential

86GRA/FIE Gray, J. A., Field, R. W. , "The Zeeman effect as an aid to

electronic assignment: the nickel hydride (NiH) k^^<~^/2

state", J. Chem. Phys., 84(2), 1041-1042 (1986),

CA104(12) :98601k, electronic energy level

86K0L/GAG Kolbanovskii , Yu. A., Gagarin, S. G., "Orbital resonance in gaseous

reactions between metal monohydride ions and methane", Izv. Akad.

Nauk SSSR, Ser. Khim., (6), 1291-1294 (1986), CA105 (14) : 121181e

,


86ROH/HAY Rohlfing, CM., Hay, P.J., Martin, R.L., "An effective core

potential investigation of Ni, Pd, and Pt and their monohydrides"

,

J. Chem. Phys., 85, 1447-1455 (1986), CA105 (12) : 102957w,


42



86SCH/GOD Schilling, J. B., Goddard, W.A., III, Beauchamp , J. L.

,

"Theoretical studies of transition-metal hydrides. 1. Bond energies

for MH+ with M = Ca, Sc , Ti , V, Cr, Mn, Fe , Co, Ni , Cu, and

In", J. Am. Chem. Soc, 108(4), 582-584 (1986), CA104(12) : 95921d,

dissociation energy

86SZP/WAL Szpunar, B., Wallace, W. E., Strange, P., "Spin-polarized

electronic structure calculations for nickel and nickel hydride

(NiH)", J. Les s- Common Met. , 123, 37-45 (1986), CM06(2) : 9541s

,

enthalpy of formation

87ADA/LOE Adakkai Kadavathu, S., Loefgren, S., Scullman, R. , "Rotational

analysis of some new transitions in nickel deuteride (NiD) . Acomparison between nickel hydride (NiH) and nickel deuteride

(NiD)", Phys. Scr., 35(3), 277-285 (1987), CA106(22) : 185285v,

rotational analysis, electronic energy levels

87MIL/FEI Miller, A.E.S., Feigerle, C.S., Lineberger, W.C., "Laser

photoelectron spectroscopy of CrH" , CoH" , and NiH"

:

periodic trends in the electronic structure of the transition-metalhydrides", J. Chem. Phys., 87(3), 1549-1556 (1987), electronaffinity, electronic energy levels, vibrational analysis

43

JANAF THERMOCHENICAL TABLES - NICKEL BIBLIOGRAPHIES

NICKEL IODIDE (Nil, Nil+, Nil")

61BUL/PHI Bulewicz, E.M., Phillips, L.F., Sugden, T.M., "Determination of



certain metals", Trans. Faraday Soc, 52, 921-931 (1961),


74BAR/CER Bartovska, L. , Cerny, C, Bartovsky, T., "The study of systems

cobalt- iodine and nickel- iodine at higher temperatures", Coll. Czech.

Chem. Commun. , 39_, 917-923 (1974), dissociation energy

83KEH/AHL Kehlenbeck, G., Ahlert, J., Wolf, F., Ziegeler, L. , Smend, F.

,

Schumacher, M. , "Electronic rearrangement on molecules accompanying

y9-decay investigated by nuclear resonance fluorescence", Z.

Physik A, 311(4), 253-257 (1983), CA98(26) : 223345r , dissociationenergy

I

^4

MBS»114A (REV. 2.eoi

U.S. DEPT. OF COMM.

BIBLIOGRAPHIC DATASHEET (See instructions)

1. PUBLICATION ORREPORT NO.

NBS/TN-1244

2. Performing Organ. Report NoJ 3. Publication Date

I December 1987

4. TITLE AND SUBTITLE Thermodynamic Properties of

Halides, Hydrides, and Deuterides of Cobalt, Iron, and Nickel


5. AUTHOR(S)

Cjmthia R. Jackson and Malcolm W. Chase

6. PERFORMING ORGANIZATION (If joint or other than NBS. see instructions)

NATIONAL BUREAU OF STANDARDSU.S. DEPARTMENT OF COMMERCEGATTHERSBURG, MD 20899

7. Contract/Grant No.

I. Type of Report & Period Covered

Final

X9. SPONSORING ORGANIZATION NAME AND COMPLETE ADDRESS (Street. City, State, ZIP)

10. SUPPLEMENTARY NOTES

I IDocument describes a computer program; SF-185, FIPS Software Summary, Is attached.

11. ABSTRACT (^ 200-word or fess factual summary of most significant information. If <locument Includes a significant• bibliography or literature siwrvey, mention it here)

A bibliographic collection is provided on data which are necessary for the

calculation of the thermochemical properties of the gaseous metal halides, hydrides

(deuterides) and their positive and negative ions (MX, MX"*" and MX"), where M - Co,

Fe, and Ni and X - Br, CI, F, H(D) , and 1. This is the first in a series of

articles that will document the infonnation used in the critical evaluation of the

thermodynamic properties of these substances for the JANAF Thermochemical Tables.

The collection contains references which hava been published through the end of

1986 with some 1987 references. Fifteen bibliographies are given, one for eachspecies. In all bibliographies, the references are listed chronologically;alphabetically^ by first author within each year. The names of the species aregiven according to the Chemical Abstracts system of nomenclature (as of the TenthCollective Index) when possible. The Chemical Abstracts Registry Numbers, if

assigned, are also given for each of the species. A brief summary of the type ofavailable information is given.

12. KEY WORDS (Six to twelve entries; alphabetical order; capitalize only proper names; and separate key words by semicolons)

bibliography; electron affinity; electronic energy levels; equilibrium data;

formation properties; ionization potential; molecular structure; review articles;

thermochemistry; thermodynamic properties; transition metal halides and hydrides;

13. AVAILABILITY vibrational frequencies

{^ Unlimited

I IFor Officral cDistribution. Do Not Release to WTIS

R53 Order From Superirxendent of Documents, lU.S. Government Printing Olifit«!ei,***«rt»mgton, D.C.20402.

Order From National Technical Information Ser«':ix>ei(MTIS). Springfield. VA. 22J<6:l

1«. NO. OFPI^INTED PAGES

50

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